The first-order long-range interaction between atoms

Burke, P G; Tait, J.H.; Dalgarno, A.

doi:10.1016/0009-2614(67)80014-9

Cited by 6 publications

(2 citation statements)

References 4 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…An electrostatic interaction model 1,[13][14][15] which considers the first non-null electrostatic interaction between the B and O 2 reactants to be the coupling between the electric quadrupole moment of a B atom and the electric field gradient of an O 2 molecule is utilized in the present analysis. It is assumed that X Abstract published in AdVance ACS Abstracts, December 1, 1995. the two reactants approach each other with C s symmetry so that the only symmetry operation of the B + O 2 system is a reflection plane.…”

Section: Electrostatic Interaction Modelmentioning

confidence: 99%

“…Without executing an ab initio quantum chemical calculation of the PES, we examine the energy level splittings of the B atom at a large separation between the two reactants (longer than the sum of van der Waals radii) with an accuracy of a few cm -1 . An electrostatic interaction model ,− which considers the first non-null electrostatic interaction between the B and O 2 reactants to be the coupling between the electric quadrupole moment of a B atom and the electric field gradient of an O 2 molecule is utilized in the present analysis. It is assumed that the two reactants approach each other with C s symmetry so that the only symmetry operation of the B + O 2 system is a reflection plane.…”

Section: Electrostatic Interaction Modelmentioning

confidence: 99%

See 1 more Smart Citation

Topographical Features of Potential Energy Surfaces of the B + O₂ Chemical Reaction

Chen¹,

Lee²,

Chang³

et al. 1996

J. Phys. Chem.

View full text Add to dashboard Cite

Reactivities of spin-orbit states in B( 2 P 1/2, 3/2 ) + O 2 (X 3 Σ g -) f BO(X 2 Σ + , A 2 Π) + O( 3 P J ) have been studied by fluorescence imaging techniques. From experimentally measured reactivities of the 2 P 1/2 and 2 P 3/2 spinorbit states of B atoms toward O 2 molecules and model calculations, an avoided intersection of potential energy surfaces in the entrance valley can be deduced. From the A f X chemiluminescent spectra of BO* products under crossed beam conditions, the spatial patterns of BO* chemiluminescences, and fluorescence imagings of ground state BO radicals, it was inferred that both vibrationally excited BO(X 2 Σ + ) and electronically excited BO(A 2 Π) products are formed in the B + O 2 reaction. The reaction channel that leads to the formation of A state BO* correlates solely with B atoms in the 2 P 3/2 spin-orbit state. On the other hand, half of the population of this 2 P 3/2 level can cross efficiently to a ground state reaction channel, in which the formation of X state BO correlates adiabatically with B atoms in the 2 P 1/2 spin-orbit state. The excited state reaction channel exhibits a small potential barrier, while the ground state reaction channel has an attractive potential energy surface so that the energy release is channeled predominantly into the vibrational mode of BO. Consequently, the avoided intersection of potential energy surfaces and a barrierless, attractive lower sheet are the major topographical features of the B + O 2 reaction.

show abstract

Section: Electrostatic Interaction Modelmentioning

confidence: 99%

Section: Electrostatic Interaction Modelmentioning

confidence: 99%

Topographical Features of Potential Energy Surfaces of the B + O₂ Chemical Reaction

Chen¹,

Lee²,

Chang³

et al. 1996

J. Phys. Chem.

View full text Add to dashboard Cite

show abstract

Reactivities of spin-orbit states in () + (X3Σg−) → Σ) + (. A fluorescence imaging study

Chen

Sung

Chang

et al. 1995

Chemical Physics Letters

View full text Add to dashboard Cite

Large and Small Distances

Goodisman

1973

Diatomic Interaction Potential Theory

View full text Add to dashboard Cite

The first-order long-range interaction between atoms

Cited by 6 publications

References 4 publications

Topographical Features of Potential Energy Surfaces of the B + O₂ Chemical Reaction

Topographical Features of Potential Energy Surfaces of the B + O₂ Chemical Reaction

Reactivities of spin-orbit states in () + (X3Σg−) → Σ) + (. A fluorescence imaging study

Large and Small Distances

Contact Info

Product

Resources

About

The first-order long-range interaction between atoms

Cited by 6 publications

References 4 publications

Topographical Features of Potential Energy Surfaces of the B + O2 Chemical Reaction

Topographical Features of Potential Energy Surfaces of the B + O2 Chemical Reaction

Reactivities of spin-orbit states in () + (X3Σg−) → Σ) + (. A fluorescence imaging study

Large and Small Distances

Contact Info

Product

Resources

About

Topographical Features of Potential Energy Surfaces of the B + O₂ Chemical Reaction

Topographical Features of Potential Energy Surfaces of the B + O₂ Chemical Reaction